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CHEMBLOCK-ZINC00707261

 MMsINC code: MMs00506765
Type: Neutral
Formula: C26H19NO4
SMILES:   O1c2cc(N3C(=O)C4C(C5c6c(cccc6)C4(c4c5cccc4)C)C3=O)ccc2OC1
InChI:   InChI=1/C26H19NO4/c1-26-17-8-4-2-6-15(17)21(16-7-3-5-9-18(16)26)22-23(26)25(29)27(24(22)28)14-10-11-19-20(12-14)31-13-30-19/h2-12,21-23H,13H2,1H3/t21-,22-,23+,26+/m0/s1

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Potential Energy
Epot(MMFF94)=130.688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.441 g/mol  logS: -5.65307  SlogP: 3.986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168607  Sterimol/B1: 2.22989  Sterimol/B2: 4.44195  Sterimol/B3: 5.69944
  Sterimol/B4: 7.25319  Sterimol/L: 16.8742 
 
 Surface and Volume Properties
  Accessible surface: 595.992  Positive charged surface: 355.641  Negative charged surface: 240.351  Volume: 373.125
  Hydrophobic surface: 475.354  Hydrophilic surface: 120.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.